4-chloro-1-[(2,5-difluorophenyl)methyl]indole

C15H10ClF2N — CID 116623695

IUPAC4-chloro-1-[(2,5-difluorophenyl)methyl]indole
SMILESFc1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C15H10ClF2N/c16-13-2-1-3-15-12(13)6-7-19(15)9-10-8-11(17)4-5-14(10)18/h1-8H,9H2
InChIKeyPMLGTWSURNQOEZ-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.62
Rot. Bonds2

About 4-chloro-1-[(2,5-difluorophenyl)methyl]indole

4-chloro-1-[(2,5-difluorophenyl)methyl]indole (PubChem CID 116623695) has the molecular formula C15H10ClF2N and a molecular weight of 277.70 g/mol. Its IUPAC name is 4-chloro-1-[(2,5-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name4-chloro-1-[(2,5-difluorophenyl)methyl]indole
PubChem CID116623695
Molecular FormulaC15H10ClF2N
Molecular Weight277.70 g/mol
Exact Mass277.05
IUPAC Name4-chloro-1-[(2,5-difluorophenyl)methyl]indole
SMILESFc1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C15H10ClF2N/c16-13-2-1-3-15-12(13)6-7-19(15)9-10-8-11(17)4-5-14(10)18/h1-8H,9H2
InChIKeyPMLGTWSURNQOEZ-UHFFFAOYSA-N
XLogP4.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
CID 116623731
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
CID 103428267
3-chloro-4-[(4-chloroindol-1-yl)methyl]benzonitrile
CID 102670424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]indole?
The IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]indole (CID 116623695) is 4-chloro-1-[(2,5-difluorophenyl)methyl]indole.
What is the SMILES notation for 4-chloro-1-[(2,5-difluorophenyl)methyl]indole?
The canonical SMILES for 4-chloro-1-[(2,5-difluorophenyl)methyl]indole is Fc1ccc(F)c(Cn2ccc3c(Cl)cccc32)c1.
What is the InChIKey of 4-chloro-1-[(2,5-difluorophenyl)methyl]indole?
The InChIKey is PMLGTWSURNQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N/c16-13-2-1-3-15-12(13)6-7-19(15)9-10-8-11(17)4-5-14(10)18/h1-8H,9H2.
What are the key properties of 4-chloro-1-[(2,5-difluorophenyl)methyl]indole?
4-chloro-1-[(2,5-difluorophenyl)methyl]indole has a molecular weight of 277.70 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,5-difluorophenyl)methyl]indole is sourced from PubChem (CID 116623695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).